4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine

C17H15F3N2OS — CID 141193519

IUPAC4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine
SMILESFC(F)(F)c1cc(-c2cc(N3CCOCC3)cs2)c2cc[nH]c2c1
InChIInChI=1S/C17H15F3N2OS/c18-17(19,20)11-7-14(13-1-2-21-15(13)8-11)16-9-12(10-24-16)22-3-5-23-6-4-22/h1-2,7-10,21H,3-6H2
InChIKeyFITPVHSONKOKAS-UHFFFAOYSA-N
MW352.38 g/mol
LogP4.75
Rot. Bonds2

About 4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine

4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine (PubChem CID 141193519) has the molecular formula C17H15F3N2OS and a molecular weight of 352.38 g/mol. Its IUPAC name is 4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine
PubChem CID141193519
Molecular FormulaC17H15F3N2OS
Molecular Weight352.38 g/mol
Exact Mass352.09
IUPAC Name4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine
SMILESFC(F)(F)c1cc(-c2cc(N3CCOCC3)cs2)c2cc[nH]c2c1
InChIInChI=1S/C17H15F3N2OS/c18-17(19,20)11-7-14(13-1-2-21-15(13)8-11)16-9-12(10-24-16)22-3-5-23-6-4-22/h1-2,7-10,21H,3-6H2
InChIKeyFITPVHSONKOKAS-UHFFFAOYSA-N
XLogP4.75
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine?
The IUPAC name of 4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine (CID 141193519) is 4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine.
What is the SMILES notation for 4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine?
The canonical SMILES for 4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine is FC(F)(F)c1cc(-c2cc(N3CCOCC3)cs2)c2cc[nH]c2c1.
What is the InChIKey of 4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine?
The InChIKey is FITPVHSONKOKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2OS/c18-17(19,20)11-7-14(13-1-2-21-15(13)8-11)16-9-12(10-24-16)22-3-5-23-6-4-22/h1-2,7-10,21H,3-6H2.
What are the key properties of 4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine?
4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine has a molecular weight of 352.38 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-(trifluoromethyl)-1H-indol-4-yl]thiophen-3-yl]morpholine is sourced from PubChem (CID 141193519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).